1-[(4-ethylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid

C15H15NO4 — CID 82108196

IUPAC1-[(4-ethylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid
SMILESCCc1ccc(COn2cc(C(=O)O)ccc2=O)cc1
InChIInChI=1S/C15H15NO4/c1-2-11-3-5-12(6-4-11)10-20-16-9-13(15(18)19)7-8-14(16)17/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyACLWQZIDOKROIL-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.74
Rot. Bonds5

About 1-[(4-ethylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid

1-[(4-ethylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid (PubChem CID 82108196) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid
PubChem CID82108196
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name1-[(4-ethylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid
SMILESCCc1ccc(COn2cc(C(=O)O)ccc2=O)cc1
InChIInChI=1S/C15H15NO4/c1-2-11-3-5-12(6-4-11)10-20-16-9-13(15(18)19)7-8-14(16)17/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyACLWQZIDOKROIL-UHFFFAOYSA-N
XLogP1.74
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(4-ethylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid (CID 82108196) is 1-[(4-ethylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-ethylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(4-ethylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid is CCc1ccc(COn2cc(C(=O)O)ccc2=O)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid?
The InChIKey is ACLWQZIDOKROIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-2-11-3-5-12(6-4-11)10-20-16-9-13(15(18)19)7-8-14(16)17/h3-9H,2,10H2,1H3,(H,18,19).
What are the key properties of 1-[(4-ethylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid?
1-[(4-ethylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82108196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).